SiO2 Boisen M B, Gibbs G V, Bukowinski M S T Physics and Chemistry of Minerals 21 (1994) 269-284 Framework silica structures generated using simulated annealing with a potential energy function based on an H6Si2O7 molecule Sample: 10 _database_code_amcsd 0007875 CELL PARAMETERS: 4.8452 6.9852 7.0237 113.811 77.951 76.701 SPACE GROUP: P1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 199.135 Density (g/cm3): 2.004 MAX. ABS. INTENSITY / VOLUME**2: 12.16717474 RIR: 1.977 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.65 29.81 6.0459 0 0 1 1 14.81 95.58 5.9833 0 1 0 1 15.10 100.00 5.8673 0 -1 1 1 20.01 24.27 4.4365 1 0 0 1 20.30 7.18 4.3738 1 1 0 1 20.43 31.88 4.3476 1 0 1 1 24.97 16.70 3.5658 -1 -1 1 1 25.29 25.72 3.5221 1 1 1 1 25.36 13.35 3.5123 1 -1 1 1 25.43 15.15 3.5022 0 1 1 1 25.96 6.67 3.4324 0 -1 2 1 26.23 8.82 3.3980 0 -2 1 1 28.71 6.88 3.1095 -1 0 1 1 28.96 10.82 3.0830 -1 1 0 1 29.55 5.73 3.0230 0 0 2 1 29.57 3.03 3.0206 1 2 0 1 29.59 6.27 3.0190 1 0 2 1 29.59 1.88 3.0187 -1 -2 1 1 29.85 8.61 2.9930 1 -1 2 1 29.87 3.19 2.9917 0 2 0 1 30.47 3.35 2.9337 0 -2 2 1 35.89 1.13 2.5020 -1 -1 2 1 36.40 7.03 2.4679 1 2 1 1 36.45 17.29 2.4649 -1 -2 2 1 36.51 2.92 2.4612 1 -2 1 1 37.00 3.47 2.4295 1 -2 2 1 37.99 1.86 2.3687 2 1 0 1 38.33 2.99 2.3485 2 1 1 1 38.63 6.61 2.3308 -1 1 1 1 39.25 3.00 2.2951 0 1 2 1 39.85 1.72 2.2621 0 -1 3 1 40.01 4.29 2.2535 1 -1 3 1 40.67 1.40 2.2182 2 0 0 1 42.68 3.05 2.1186 1 3 0 1 42.93 3.25 2.1068 -1 -3 2 1 43.24 1.19 2.0922 1 -2 3 1 43.84 1.65 2.0651 -2 -2 1 1 43.86 2.49 2.0642 2 -1 1 1 44.22 1.97 2.0480 2 2 1 1 44.29 2.41 2.0451 2 1 2 1 44.38 2.16 2.0412 2 -1 2 1 44.98 1.49 2.0153 0 0 3 1 45.48 2.12 1.9944 0 3 0 1 46.43 1.08 1.9558 0 -3 3 1 47.55 2.98 1.9122 1 2 2 1 48.25 1.04 1.8861 -2 0 1 1 49.50 1.09 1.8412 -2 -3 1 1 49.77 2.87 1.8322 2 0 3 1 50.72 1.98 1.8001 -1 -3 3 1 51.24 1.05 1.7829 -2 -2 2 1 51.76 3.56 1.7662 -1 2 1 1 51.92 1.58 1.7610 2 2 2 1 52.08 3.78 1.7561 2 -2 2 1 53.61 1.24 1.7094 1 -2 4 1 56.60 1.18 1.6260 0 -4 3 1 56.88 1.76 1.6188 -1 3 0 1 58.28 1.37 1.5832 -1 -4 3 1 58.63 1.68 1.5745 1 -3 4 1 59.26 2.13 1.5592 -2 -4 1 1 59.54 1.34 1.5527 2 -1 4 1 61.39 1.21 1.5103 -1 -2 4 1 61.45 1.85 1.5090 1 3 2 1 62.02 1.10 1.4963 -1 -3 4 1 62.84 1.08 1.4788 3 0 0 1 63.14 1.29 1.4725 2 2 3 1 63.38 1.20 1.4675 2 -3 2 1 63.41 1.21 1.4668 0 -4 4 1 64.28 2.10 1.4492 3 0 3 1 64.77 1.07 1.4393 -3 -1 1 1 65.31 1.08 1.4287 3 -1 1 1 65.68 1.42 1.4215 -3 -3 1 1 65.86 2.62 1.4181 -2 -1 3 1 66.42 1.81 1.4075 3 -1 3 1 66.92 1.76 1.3982 2 -3 1 1 67.42 2.08 1.3891 0 3 2 1 67.46 1.80 1.3883 2 1 4 1 67.58 1.05 1.3862 1 -4 4 1 69.14 2.13 1.3587 0 -3 5 1 72.26 2.04 1.3075 -2 -5 2 1 72.38 1.22 1.3057 3 4 0 1 72.75 1.17 1.2998 3 0 4 1 74.28 1.12 1.2768 -2 3 0 1 75.41 1.93 1.2605 1 3 3 1 76.27 1.03 1.2484 2 -4 3 1 77.38 1.39 1.2333 -1 -2 5 1 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.